1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole

C20H14Cl4N2O2 — CID 70501168

IUPAC1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole
SMILESClc1ccc(C(OCc2coc3cc(Cl)cc(Cl)c23)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C20H14Cl4N2O2/c21-14-3-1-12(2-4-14)19(20(24)26-6-5-25-11-26)28-10-13-9-27-17-8-15(22)7-16(23)18(13)17/h1-9,11,19-20H,10H2
InChIKeyYEERUTPUQDYBNG-UHFFFAOYSA-N
MW456.16 g/mol
LogP7.28
Rot. Bonds6

About 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole

1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole (PubChem CID 70501168) has the molecular formula C20H14Cl4N2O2 and a molecular weight of 456.16 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole
PubChem CID70501168
Molecular FormulaC20H14Cl4N2O2
Molecular Weight456.16 g/mol
Exact Mass453.98
IUPAC Name1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole
SMILESClc1ccc(C(OCc2coc3cc(Cl)cc(Cl)c23)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C20H14Cl4N2O2/c21-14-3-1-12(2-4-14)19(20(24)26-6-5-25-11-26)28-10-13-9-27-17-8-15(22)7-16(23)18(13)17/h1-9,11,19-20H,10H2
InChIKeyYEERUTPUQDYBNG-UHFFFAOYSA-N
XLogP7.28
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.16
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-chloro-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(4-chlorophenyl)ethyl]imidazole;nitric acid
CID 67617579
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione
CID 88824443
1-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-phenylmethoxyethyl]imidazole
CID 46230741
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
CID 70484994
1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 91216185
1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole
CID 70636344
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-phenylethanedithioate
CID 88825112
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)ethanethioate
CID 88823868
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole
CID 173456025

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole?
The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole (CID 70501168) is 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole?
The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole is Clc1ccc(C(OCc2coc3cc(Cl)cc(Cl)c23)C(Cl)n2ccnc2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole?
The InChIKey is YEERUTPUQDYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4N2O2/c21-14-3-1-12(2-4-14)19(20(24)26-6-5-25-11-26)28-10-13-9-27-17-8-15(22)7-16(23)18(13)17/h1-9,11,19-20H,10H2.
What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole?
1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole has a molecular weight of 456.16 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole is sourced from PubChem (CID 70501168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).